Monomers
Acenaphthylene
Identifiers
IUPAC name
acenaphthylene
InchI
InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
InchI Key
HXGDTGSAIMULJN-UHFFFAOYSA-N
SMILES
c1cc2cccc3c2c(c1)C=C3
Canonical SMILES
C1=CC2=C3C(=C1)C=CC3=CC=C2
Isomeric SMILES
C1=CC2=C3C(=C1)C=CC3=CC=C2
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H8
Heavy Atom Count
12
Molecular Weight
152.196
Exact Molecular Weight
152.0626
Valence Electrons
56
Radical Electrons
0
tPSA
0.0
MolLogP
3.3236
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
2
MOL File
RDKit 3D
20 22 0 0 0 0 0 0 0 0999 V2000
-2.0210 1.6428 -0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1699 0.2537 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0304 -0.5257 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0317 -1.9074 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1559 -2.6218 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3659 -1.9552 0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3845 -0.5629 0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1881 0.1015 -0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3308 1.4611 -0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8040 2.2696 -0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7777 1.6701 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3898 0.4773 -0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9413 2.2091 -0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1114 -0.2330 0.0654 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9614 -2.4094 0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1764 -3.6984 0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3223 -2.4572 0.2292 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7018 3.3209 -0.3417 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2300 2.6350 -0.3076 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4515 0.3300 -0.0801 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 2 0
10 1 1 0
8 3 1 0
12 7 1 0
1 13 1 0
2 14 1 0
4 15 1 0
5 16 1 0
6 17 1 0
10 18 1 0
11 19 1 0
12 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers